#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ccl s VAL 6 N 0.00 4.70 -0.16 1.61 1.01 0.11 -4.44 120.40 123.23 2ccl s VAL 6 Ca 0.00 1.78 -0.01 0.00 0.00 0.00 0.00 61.98 63.76 2ccl s VAL 6 Cb 0.00 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 2ccl s VAL 6 CO 0.00 0.32 -0.13 -0.69 0.00 0.00 0.00 175.10 174.61 2ccl s VAL 7 N 0.12 2.92 -0.31 2.92 1.01 -0.02 -0.80 120.40 126.24 2ccl s VAL 7 Ca 0.42 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 2ccl s VAL 7 Cb -0.21 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 33.93 2ccl s VAL 7 CO 0.25 0.50 0.11 -0.69 0.00 0.00 0.00 175.10 175.27 2ccl s VAL 8 N 0.78 4.13 -0.16 2.92 1.01 -0.15 -0.48 120.40 128.46 2ccl s VAL 8 Ca -0.05 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 2ccl s VAL 8 Cb -0.15 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 2ccl s VAL 8 CO 0.01 0.01 -0.08 -0.70 0.00 0.00 0.00 175.10 174.34 2ccl s GLU 9 N 1.52 3.48 -0.15 2.72 2.12 -0.20 -0.69 118.70 127.50 2ccl s GLU 9 Ca 0.02 -0.61 -0.26 0.00 0.36 0.00 0.00 54.97 54.48 2ccl s GLU 9 Cb -0.18 -2.82 -0.01 0.00 0.26 0.00 0.00 34.13 31.37 2ccl s GLU 9 CO 0.04 0.12 0.87 0.42 -0.54 0.00 0.00 175.26 176.16 2ccl s ILE 10 N 0.63 4.86 1.04 -3.70 1.01 0.33 -0.33 121.20 125.06 2ccl s ILE 10 Ca -0.04 1.72 -0.12 0.00 0.00 0.00 0.00 60.65 62.21 2ccl s ILE 10 Cb -0.15 -4.17 0.22 0.00 0.01 0.00 0.00 42.46 38.37 2ccl s ILE 10 CO 0.03 0.03 1.08 -0.83 0.00 0.00 0.00 174.94 175.24 2ccl s GLY 11 N 1.13 1.61 -0.15 6.18 0.00 0.23 -3.78 107.32 112.54 2ccl s GLY 11 Ca 0.40 0.19 0.00 0.00 0.00 0.00 0.00 44.72 45.31 2ccl s GLY 11 CO 0.14 0.76 -0.13 0.54 0.00 0.00 0.00 173.10 174.41 2ccl s LYS 12 N -4.56 2.16 0.29 2.90 1.02 -1.26 -1.47 119.74 118.81 2ccl s LYS 12 Ca 0.67 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 56.14 2ccl s LYS 12 Cb -0.24 -2.09 -0.06 0.00 -0.52 0.00 0.00 37.83 34.93 2ccl s LYS 12 CO 0.61 -0.27 0.05 0.14 -0.92 0.00 0.00 175.35 174.96 2ccl s VAL 13 N 1.50 1.04 0.22 3.17 -7.23 -0.57 -4.99 120.40 113.55 2ccl s VAL 13 Ca 0.04 -2.01 0.10 0.00 -1.81 0.00 0.00 61.98 58.30 2ccl s VAL 13 Cb -0.13 -2.64 -0.05 0.00 0.56 0.00 0.00 36.38 34.12 2ccl s VAL 13 CO -0.10 -0.09 -0.19 0.42 -0.31 0.00 0.00 175.10 174.83 2ccl s THR 14 N -3.41 2.10 -0.29 5.32 -4.23 -1.26 -0.41 115.64 113.47 2ccl s THR 14 Ca 0.35 -2.19 -0.26 0.00 -1.18 0.00 0.00 61.69 58.41 2ccl s THR 14 Cb 0.08 -2.10 0.18 0.00 1.34 0.00 0.00 72.50 72.00 2ccl s THR 14 CO 0.13 -0.40 1.36 -0.83 -0.54 0.00 0.00 174.62 174.35 2ccl s GLY 15 N -3.15 0.23 0.76 3.99 0.00 -1.26 -4.92 107.32 102.97 2ccl s GLY 15 Ca 0.23 3.27 -0.12 0.00 0.00 0.00 0.00 44.72 48.11 2ccl s GLY 15 CO 0.10 1.77 1.11 -0.56 0.00 0.00 0.00 173.10 175.52 2ccl s SER 16 N -0.14 4.44 0.18 1.64 0.01 -1.26 -4.92 113.70 113.65 2ccl s SER 16 Ca 0.07 1.92 -0.33 0.00 1.31 0.00 0.00 55.95 58.92 2ccl s SER 16 Cb -0.04 -2.54 -0.14 0.00 0.21 0.00 0.00 66.02 63.52 2ccl s SER 16 CO -0.13 -2.08 1.55 0.52 0.41 0.00 0.00 173.24 173.52 2ccl n VAL 17 N -3.33 0.19 0.00 3.43 0.31 -1.26 -1.98 118.33 115.69 2ccl n VAL 17 Ca 0.10 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2ccl n VAL 17 Cb 0.53 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 2ccl n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ccl n GLY 18 N 3.18 3.43 3.80 2.92 0.00 0.74 -5.00 105.19 114.26 2ccl n GLY 18 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2ccl n GLY 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ccl s THR 19 N -2.98 4.47 -0.16 2.61 -4.23 -0.84 -4.77 115.64 109.75 2ccl s THR 19 Ca 0.00 1.50 -0.19 0.00 -1.18 0.00 0.00 61.69 61.82 2ccl s THR 19 Cb 0.00 -4.00 -0.04 0.00 1.34 0.00 0.00 72.50 69.81 2ccl s THR 19 CO 0.00 0.37 0.54 -0.89 -0.54 0.00 0.00 174.62 174.10 2ccl s THR 20 N -1.33 5.12 0.22 3.99 2.01 -1.26 -1.62 115.64 122.77 2ccl s THR 20 Ca 0.39 1.04 0.10 0.00 0.31 0.00 0.00 61.69 63.52 2ccl s THR 20 Cb -0.20 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2ccl s THR 20 CO 0.23 0.23 -0.09 0.68 -0.69 0.00 0.00 174.62 174.99 2ccl s VAL 21 N 1.22 3.14 -0.24 3.82 -7.23 -0.04 -4.95 120.40 116.12 2ccl s VAL 21 Ca 0.27 -1.86 -0.07 0.00 -1.81 0.00 0.00 61.98 58.52 2ccl s VAL 21 Cb -0.16 -2.60 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 2ccl s VAL 21 CO 0.11 -0.23 0.05 -1.61 -0.31 0.00 0.00 175.10 173.10 2ccl s GLU 22 N -3.17 3.63 -0.43 4.82 2.02 -1.26 -1.63 118.70 122.67 2ccl s GLU 22 Ca 0.27 -0.50 -0.11 0.00 0.02 0.00 0.00 54.97 54.66 2ccl s GLU 22 Cb -0.07 -3.24 0.07 0.00 0.10 0.00 0.00 34.13 30.98 2ccl s GLU 22 CO 0.16 -0.14 0.30 0.42 0.02 0.00 0.00 175.26 176.02 2ccl s ILE 23 N 1.45 4.57 0.51 -1.63 1.09 0.18 -4.86 121.20 122.51 2ccl s ILE 23 Ca 0.05 -1.26 -0.21 0.00 -1.10 0.00 0.00 60.65 58.13 2ccl s ILE 23 Cb -0.15 -3.76 -0.06 0.00 -1.06 0.00 0.00 42.46 37.43 2ccl s ILE 23 CO 0.02 -0.52 1.14 -2.84 -0.10 0.00 0.00 174.94 172.65 2ccl s PRO 24 N 1.50 3.52 -0.26 2.79 0.02 -1.26 -0.79 135.00 140.52 2ccl s PRO 24 Ca 0.03 1.67 -0.03 0.00 0.02 0.00 0.00 61.00 62.70 2ccl s PRO 24 Cb -0.23 -2.16 0.02 0.00 0.02 0.00 0.00 34.50 32.15 2ccl s PRO 24 CO 0.04 -0.73 -0.03 0.08 -0.33 0.00 0.00 177.00 176.03 2ccl s VAL 25 N -1.69 3.13 -0.01 3.83 1.01 0.40 -0.60 120.40 126.46 2ccl s VAL 25 Ca 0.69 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 2ccl s VAL 25 Cb -0.26 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2ccl s VAL 25 CO 0.30 0.17 0.26 -0.31 0.00 0.00 0.00 175.10 175.52 2ccl s TYR 26 N 1.36 3.59 -0.16 5.22 1.51 0.56 0.53 117.35 129.96 2ccl s TYR 26 Ca 0.01 0.59 -0.03 0.00 -1.01 0.00 0.00 57.07 56.63 2ccl s TYR 26 Cb -0.17 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 2ccl s TYR 26 CO -0.03 0.63 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.92 2ccl s PHE 27 N -1.24 2.94 0.19 2.71 0.40 0.97 -1.03 117.98 122.92 2ccl s PHE 27 Ca 0.25 -0.52 0.09 0.00 -0.60 0.00 0.00 56.93 56.15 2ccl s PHE 27 Cb -0.13 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 2ccl s PHE 27 CO 0.14 -0.18 -0.18 1.03 0.70 0.00 0.00 175.22 176.73 2ccl s ARG 28 N 0.55 1.36 -0.86 0.44 0.52 0.37 -1.58 118.95 119.76 2ccl s ARG 28 Ca -0.05 -1.51 0.00 0.00 -0.52 0.00 0.00 55.73 53.65 2ccl s ARG 28 Cb -0.15 -1.38 0.00 0.00 0.52 0.00 0.00 34.95 33.94 2ccl s ARG 28 CO 0.03 0.27 0.00 0.41 0.02 0.00 0.00 175.30 176.03 2ccl n GLY 29 N -0.00 0.05 3.67 -3.53 0.00 -1.26 -0.84 105.19 103.28 2ccl n GLY 29 Ca -0.11 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 2ccl n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ccl s VAL 30 N -2.49 3.68 0.45 1.61 1.01 -1.26 -4.19 120.40 119.22 2ccl s VAL 30 Ca 0.00 0.92 -0.24 0.00 0.00 0.00 0.00 61.98 62.65 2ccl s VAL 30 Cb 0.00 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.71 2ccl s VAL 30 CO 0.00 -0.06 1.30 -2.16 0.00 0.00 0.00 175.10 174.19 2ccl s PRO 31 N 3.45 3.71 0.42 2.72 0.04 -1.26 -4.85 135.00 139.23 2ccl s PRO 31 Ca 0.68 2.13 0.08 0.00 0.04 0.00 0.00 61.00 63.93 2ccl s PRO 31 Cb -0.31 -2.56 0.91 0.00 0.04 0.00 0.00 34.50 32.57 2ccl s PRO 31 CO 0.26 -0.70 2.05 1.03 0.04 0.00 0.00 177.00 179.69 2ccl h SER 32 N 2.24 0.43 -0.97 6.66 0.87 -1.94 -1.32 113.55 119.52 2ccl h SER 32 Ca -0.50 -0.01 0.22 0.00 -1.23 0.00 0.00 61.79 60.27 2ccl h SER 32 Cb 1.26 -0.10 -0.12 0.00 -0.44 0.00 0.00 62.40 63.00 2ccl h SER 32 CO 0.61 0.31 0.54 0.11 -0.53 0.00 0.00 176.83 177.87 2ccl h LYS 33 N 0.51 0.57 0.00 2.24 1.57 -1.93 -3.47 116.57 116.05 2ccl h LYS 33 Ca 0.16 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2ccl h LYS 33 Cb 0.02 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2ccl h LYS 33 CO -0.04 0.37 0.00 0.41 -0.57 0.00 0.00 179.45 179.63 2ccl n GLY 34 N -1.32 2.79 3.62 3.86 0.00 -0.50 -4.55 105.19 109.09 2ccl n GLY 34 Ca 0.24 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.21 2ccl n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ccl s ILE 35 N -1.54 5.06 0.06 -0.61 -1.09 0.14 -1.16 121.20 122.05 2ccl s ILE 35 Ca 0.00 0.93 0.06 0.00 -2.23 0.00 0.00 60.65 59.41 2ccl s ILE 35 Cb 0.00 -3.85 -0.23 0.00 -1.58 0.00 0.00 42.46 36.80 2ccl s ILE 35 CO 0.00 0.08 1.04 0.00 -1.23 0.00 0.00 174.94 174.83 2ccl h ALA 36 N 7.97 0.43 -2.26 9.38 0.00 -0.97 -1.19 119.26 132.62 2ccl h ALA 36 Ca -0.29 -1.08 -0.03 0.00 0.00 0.00 0.00 54.91 53.51 2ccl h ALA 36 Cb 1.14 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.85 2ccl h ALA 36 CO 0.73 1.30 0.23 0.54 0.00 0.00 0.00 179.25 182.04 2ccl s ASN 37 N -6.63 -0.61 -0.14 0.00 2.20 -1.18 -0.33 114.94 108.25 2ccl s ASN 37 Ca -0.02 0.48 -0.26 0.00 -0.94 0.00 0.00 52.86 52.11 2ccl s ASN 37 Cb 0.09 0.54 0.06 0.00 -2.00 0.00 0.00 41.25 39.94 2ccl s ASN 37 CO 0.83 -0.69 0.64 0.00 -2.94 0.00 0.00 177.10 174.94 2ccl s ASP 39 N -0.49 0.15 0.13 0.00 -4.77 -0.55 -0.82 116.67 110.31 2ccl s ASP 39 Ca -0.06 0.07 -0.14 0.00 -3.30 0.00 0.00 52.55 49.13 2ccl s ASP 39 Cb -0.03 -0.05 0.02 0.00 -1.09 0.00 0.00 42.92 41.78 2ccl s ASP 39 CO 0.05 -0.14 0.35 0.72 0.70 0.00 0.00 175.17 176.85 2ccl s PHE 40 N 1.19 -0.04 -0.06 2.11 -0.12 -1.08 0.19 117.98 120.17 2ccl s PHE 40 Ca -0.08 -0.31 0.05 0.00 -0.05 0.00 0.00 56.93 56.54 2ccl s PHE 40 Cb -0.13 0.16 -0.01 0.00 -0.63 0.00 0.00 43.02 42.42 2ccl s PHE 40 CO -0.03 -0.68 -0.22 0.08 -0.05 0.00 0.00 175.22 174.31 2ccl s VAL 41 N -3.84 1.83 0.04 -2.49 1.01 0.11 -1.35 120.40 115.70 2ccl s VAL 41 Ca 0.06 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.17 2ccl s VAL 41 Cb 0.02 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 2ccl s VAL 41 CO -0.10 0.51 -0.13 -0.36 0.00 0.00 0.00 175.10 175.03 2ccl s PHE 42 N 0.02 2.70 0.18 5.22 0.08 -0.38 -0.82 117.98 124.98 2ccl s PHE 42 Ca -0.07 -0.17 -0.01 0.00 0.12 0.00 0.00 56.93 56.81 2ccl s PHE 42 Cb -0.14 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 2ccl s PHE 42 CO 0.04 0.32 0.36 1.03 -0.10 0.00 0.00 175.22 176.88 2ccl s ARG 43 N -1.58 3.52 0.20 0.44 0.52 0.13 -0.75 118.95 121.42 2ccl s ARG 43 Ca 0.17 -0.35 -0.14 0.00 -0.52 0.00 0.00 55.73 54.89 2ccl s ARG 43 Cb -0.11 -2.87 0.01 0.00 0.52 0.00 0.00 34.95 32.50 2ccl s ARG 43 CO 0.08 0.44 0.43 1.52 0.02 0.00 0.00 175.30 177.78 2ccl s TYR 44 N -1.80 0.16 -0.37 -0.53 -0.85 -0.72 -1.41 117.35 111.83 2ccl s TYR 44 Ca 0.38 -0.52 -0.10 0.00 -0.52 0.00 0.00 57.07 56.31 2ccl s TYR 44 Cb -0.11 0.20 0.03 0.00 0.38 0.00 0.00 41.96 42.45 2ccl s TYR 44 CO 0.28 -0.87 0.19 0.34 -1.52 0.00 0.00 175.55 173.98 2ccl s ASP 45 N -2.94 5.67 0.29 -0.18 -1.08 -1.26 -4.66 116.67 112.52 2ccl s ASP 45 Ca 0.15 -1.00 0.25 0.00 -0.52 0.00 0.00 52.55 51.42 2ccl s ASP 45 Cb 0.00 -2.00 1.04 0.00 -1.46 0.00 0.00 42.92 40.50 2ccl s ASP 45 CO 0.01 -0.37 1.74 -0.65 0.52 0.00 0.00 175.17 176.42 2ccl h PRO 46 N 8.41 0.00 0.00 4.34 0.11 -1.87 -1.28 132.00 141.71 2ccl h PRO 46 Ca -0.25 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.77 2ccl h PRO 46 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2ccl h PRO 46 CO 0.66 0.00 -0.40 -0.91 -0.21 0.00 0.00 178.00 177.14 2ccl h ASN 47 N 0.00 0.00 0.02 -2.05 2.35 -1.96 -3.35 115.58 110.60 2ccl h ASN 47 Ca 0.00 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.36 2ccl h ASN 47 Cb 0.36 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.68 2ccl h ASN 47 CO 0.00 0.40 -2.27 0.52 -1.65 0.00 0.00 177.43 174.43 2ccl n VAL 48 N -4.02 1.56 -5.00 2.81 0.31 -0.59 -4.37 118.33 109.03 2ccl n VAL 48 Ca -0.02 -0.47 -0.30 0.00 -0.01 0.00 0.00 64.34 63.54 2ccl n VAL 48 Cb 0.44 -1.68 -0.17 0.00 -0.91 0.00 0.00 33.84 31.52 2ccl n VAL 48 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2ccl s LEU 49 N -7.05 1.95 -0.55 7.52 1.43 -0.58 -0.47 118.68 120.92 2ccl s LEU 49 Ca -0.33 -0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 52.12 2ccl s LEU 49 Cb 0.10 -1.23 0.11 0.00 0.03 0.00 0.00 46.19 45.20 2ccl s LEU 49 CO 0.60 0.12 0.58 -0.70 0.23 0.00 0.00 176.35 177.17 2ccl s GLU 50 N 0.47 3.02 -0.50 1.70 2.12 -0.24 -4.19 118.70 121.07 2ccl s GLU 50 Ca -0.17 -1.48 -0.29 0.00 0.36 0.00 0.00 54.97 53.39 2ccl s GLU 50 Cb -0.17 -4.26 0.03 0.00 0.26 0.00 0.00 34.13 29.98 2ccl s GLU 50 CO 0.07 -1.38 1.20 0.42 -0.54 0.00 0.00 175.26 175.03 2ccl s ILE 51 N 2.08 4.10 -0.68 -3.70 1.01 -1.26 -0.43 121.20 122.31 2ccl s ILE 51 Ca 0.07 1.08 0.23 0.00 0.00 0.00 0.00 60.65 62.02 2ccl s ILE 51 Cb -0.27 -4.58 -0.12 0.00 0.01 0.00 0.00 42.46 37.49 2ccl s ILE 51 CO 0.05 -1.08 1.03 2.30 0.00 0.00 0.00 174.94 177.24 2ccl n ILE 52 N 6.84 0.12 -3.64 2.92 -5.35 -0.33 -4.99 119.36 114.94 2ccl n ILE 52 Ca 0.12 -0.20 -0.02 0.00 -0.27 0.00 0.00 62.75 62.38 2ccl n ILE 52 Cb 0.49 0.31 -0.02 0.00 -1.74 0.00 0.00 39.64 38.67 2ccl n ILE 52 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2ccl s GLY 53 N -3.54 -0.17 -0.14 3.28 0.00 -1.13 -5.02 107.32 100.61 2ccl s GLY 53 Ca 0.05 2.00 -0.02 0.00 0.00 0.00 0.00 44.72 46.75 2ccl s GLY 53 CO 0.80 0.69 0.00 -0.42 0.00 0.00 0.00 173.10 174.17 2ccl s ILE 54 N -1.95 0.59 0.03 0.90 1.01 -1.26 -0.34 121.20 120.18 2ccl s ILE 54 Ca 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.47 2ccl s ILE 54 Cb -0.01 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 2ccl s ILE 54 CO -0.03 0.06 0.12 -1.81 0.00 0.00 0.00 174.94 173.28 2ccl s ASP 55 N 1.86 5.89 0.26 3.58 1.01 -0.21 -4.87 116.67 124.19 2ccl s ASP 55 Ca 0.02 0.17 -0.30 0.00 0.71 0.00 0.00 52.55 53.15 2ccl s ASP 55 Cb -0.15 -1.72 -0.10 0.00 1.01 0.00 0.00 42.92 41.96 2ccl s ASP 55 CO -0.07 0.23 1.40 -2.16 0.21 0.00 0.00 175.17 174.78 2ccl s PRO 56 N -2.08 4.30 0.92 8.23 0.04 -1.26 -0.49 135.00 144.66 2ccl s PRO 56 Ca 0.27 2.25 -0.14 0.00 0.04 0.00 0.00 61.00 63.43 2ccl s PRO 56 Cb -0.12 -3.11 0.18 0.00 0.04 0.00 0.00 34.50 31.48 2ccl s PRO 56 CO 0.19 -0.36 1.28 0.20 0.04 0.00 0.00 177.00 178.35 2ccl s GLY 57 N 0.20 1.75 0.27 0.56 0.00 0.81 -4.73 107.32 106.19 2ccl s GLY 57 Ca 0.57 -1.16 0.25 0.00 0.00 0.00 0.00 44.72 44.38 2ccl s GLY 57 CO 0.44 -0.45 1.74 1.29 0.00 0.00 0.00 173.10 176.13 2ccl h ASP 58 N -1.47 0.00 0.36 1.64 2.03 -1.79 -2.47 116.42 114.73 2ccl h ASP 58 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 2ccl h ASP 58 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2ccl h ASP 58 CO 0.42 0.00 -0.01 2.30 -1.03 0.00 0.00 179.24 180.92 2ccl n ILE 59 N -2.31 0.00 -3.25 4.15 -5.35 -1.16 -4.62 119.36 106.82 2ccl n ILE 59 Ca 0.03 -0.01 -0.42 0.00 -0.27 0.00 0.00 62.75 62.07 2ccl n ILE 59 Cb 0.27 -0.43 -0.08 0.00 -1.74 0.00 0.00 39.64 37.66 2ccl n ILE 59 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2ccl s ILE 60 N -2.38 5.01 -1.53 7.28 1.01 -0.93 -4.63 121.20 125.03 2ccl s ILE 60 Ca 0.35 0.04 0.13 0.00 0.00 0.00 0.00 60.65 61.16 2ccl s ILE 60 Cb 0.21 -4.03 0.13 0.00 0.01 0.00 0.00 42.46 38.78 2ccl s ILE 60 CO 0.43 -0.36 0.96 1.33 0.00 0.00 0.00 174.94 177.30 2ccl n VAL 61 N 5.51 0.13 -1.66 2.92 0.24 -1.26 -4.93 118.33 119.27 2ccl n VAL 61 Ca -0.05 -0.57 -0.44 0.00 -2.04 0.00 0.00 64.34 61.24 2ccl n VAL 61 Cb 0.48 1.17 -0.04 0.00 -1.47 0.00 0.00 33.84 33.98 2ccl n VAL 61 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2ccl n ASP 62 N 0.71 3.87 0.31 -1.34 -0.08 -1.26 -4.84 116.55 113.92 2ccl n ASP 62 Ca 0.08 0.90 0.19 0.00 -1.51 0.00 0.00 54.79 54.45 2ccl n ASP 62 Cb 0.34 -1.47 1.02 0.00 2.34 0.00 0.00 41.12 43.35 2ccl n ASP 62 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2ccl h PRO 63 N 10.30 0.00 -3.31 -0.67 0.13 -2.01 -2.72 132.00 133.72 2ccl h PRO 63 Ca -0.49 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.97 2ccl h PRO 63 Cb 1.25 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 32.00 2ccl h PRO 63 CO 0.95 0.00 -0.39 -0.80 -0.23 0.00 0.00 178.00 177.52 2ccl s ASN 64 N -5.17 5.18 0.44 1.44 -0.87 -1.26 -5.01 114.94 109.69 2ccl s ASN 64 Ca -0.05 -3.45 0.18 0.00 -1.57 0.00 0.00 52.86 47.98 2ccl s ASN 64 Cb 0.13 -1.77 1.12 0.00 -0.02 0.00 0.00 41.25 40.71 2ccl s ASN 64 CO 0.41 -0.20 1.90 -0.65 -2.57 0.00 0.00 177.10 175.99 2ccl h PRO 65 N 6.14 0.34 0.00 -0.60 0.11 -1.86 -1.40 132.00 134.72 2ccl h PRO 65 Ca 0.07 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2ccl h PRO 65 Cb 0.84 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2ccl h PRO 65 CO 0.75 0.22 0.00 0.25 -0.21 0.00 0.00 178.00 179.01 2ccl n THR 66 N -4.46 0.80 0.16 -1.15 -2.24 -1.26 -0.54 114.28 105.58 2ccl n THR 66 Ca 0.16 0.16 0.03 0.00 -2.27 0.00 0.00 64.05 62.13 2ccl n THR 66 Cb 0.62 -1.07 0.23 0.00 -2.10 0.00 0.00 70.33 68.02 2ccl n THR 66 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2ccl h LYS 67 N 0.00 0.00 0.00 -0.78 1.57 -1.65 -3.34 116.57 112.37 2ccl h LYS 67 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2ccl h LYS 67 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2ccl h LYS 67 CO 0.00 0.47 -1.65 0.43 -0.57 0.00 0.00 179.45 178.13 2ccl n SER 68 N -3.51 2.06 -3.98 0.86 7.64 -0.82 -4.63 113.62 111.24 2ccl n SER 68 Ca -0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 2ccl n SER 68 Cb 0.59 1.36 -0.17 0.00 -1.01 0.00 0.00 64.21 64.98 2ccl n SER 68 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2ccl s PHE 69 N -2.72 1.26 0.05 1.43 5.36 0.29 -1.29 117.98 122.37 2ccl s PHE 69 Ca -0.05 -0.45 -0.13 0.00 -0.96 0.00 0.00 56.93 55.34 2ccl s PHE 69 Cb 0.07 -0.96 0.02 0.00 -0.34 0.00 0.00 43.02 41.80 2ccl s PHE 69 CO 0.52 -0.26 0.29 0.34 -1.46 0.00 0.00 175.22 174.65 2ccl s ASP 70 N 0.78 -0.10 0.17 6.13 -1.08 -0.54 -4.21 116.67 117.82 2ccl s ASP 70 Ca -0.13 -0.25 -0.00 0.00 -0.52 0.00 0.00 52.55 51.65 2ccl s ASP 70 Cb -0.15 0.36 -0.04 0.00 -1.46 0.00 0.00 42.92 41.62 2ccl s ASP 70 CO 0.02 -0.63 0.06 0.42 0.52 0.00 0.00 175.17 175.57 2ccl s THR 71 N -2.70 0.25 -0.03 1.71 -4.23 -1.26 -1.04 115.64 108.34 2ccl s THR 71 Ca -0.04 -1.95 -0.03 0.00 -1.18 0.00 0.00 61.69 58.49 2ccl s THR 71 Cb -0.00 -2.22 0.01 0.00 1.34 0.00 0.00 72.50 71.62 2ccl s THR 71 CO -0.04 -0.32 0.09 0.00 -0.54 0.00 0.00 174.62 173.80 2ccl s ALA 72 N -3.96 -0.21 -0.15 3.99 0.00 -0.71 -4.98 121.76 115.73 2ccl s ALA 72 Ca 0.29 0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.47 2ccl s ALA 72 Cb 0.07 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.07 2ccl s ALA 72 CO 0.06 -0.05 -0.19 0.42 0.00 0.00 0.00 175.76 175.99 2ccl s ILE 73 N -0.06 2.30 -0.53 0.00 1.01 -1.26 -0.85 121.20 121.80 2ccl s ILE 73 Ca -0.01 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.78 2ccl s ILE 73 Cb -0.01 -1.94 0.14 0.00 0.01 0.00 0.00 42.46 40.66 2ccl s ILE 73 CO 0.00 0.53 0.31 -0.31 0.00 0.00 0.00 174.94 175.47 2ccl s TYR 74 N 0.87 2.79 0.42 3.97 1.51 0.01 -4.96 117.35 121.95 2ccl s TYR 74 Ca -0.05 -2.94 0.08 0.00 -1.01 0.00 0.00 57.07 53.15 2ccl s TYR 74 Cb -0.15 -2.41 0.89 0.00 -0.11 0.00 0.00 41.96 40.18 2ccl s TYR 74 CO -0.02 -0.72 2.05 -1.00 -1.11 0.00 0.00 175.55 174.76 2ccl h PRO 75 N 6.28 0.45 -0.21 -1.71 0.13 -1.96 0.43 132.00 135.41 2ccl h PRO 75 Ca 0.01 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 64.95 2ccl h PRO 75 Cb 0.87 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 2ccl h PRO 75 CO 0.62 0.32 -0.50 0.38 -0.23 0.00 0.00 178.00 178.59 2ccl h ASP 76 N 0.46 0.63 0.51 1.44 2.03 -1.95 -3.02 116.42 116.53 2ccl h ASP 76 Ca 0.12 -0.32 0.00 0.00 -0.73 0.00 0.00 57.03 56.10 2ccl h ASP 76 Cb -0.01 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 38.31 2ccl h ASP 76 CO -0.02 1.02 -0.56 0.54 -1.03 0.00 0.00 179.24 179.19 2ccl n ARG 77 N -3.99 0.04 -2.56 4.15 1.74 -0.98 -4.97 116.66 110.10 2ccl n ARG 77 Ca -0.03 0.01 -0.16 0.00 -0.77 0.00 0.00 57.85 56.90 2ccl n ARG 77 Cb 0.57 -1.52 0.01 0.00 -1.02 0.00 0.00 32.46 30.50 2ccl n ARG 77 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2ccl n LYS 78 N -1.58 -2.46 -4.15 5.56 5.02 0.14 -5.01 118.16 115.68 2ccl n LYS 78 Ca 0.05 0.70 -0.13 0.00 -2.02 0.00 0.00 58.31 56.90 2ccl n LYS 78 Cb 0.35 -5.04 -0.11 0.00 -0.02 0.00 0.00 35.03 30.22 2ccl n LYS 78 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2ccl s ILE 79 N -2.89 0.82 -0.02 -0.18 -4.36 -0.88 -1.75 121.20 111.93 2ccl s ILE 79 Ca 0.12 -1.59 0.06 0.00 -0.26 0.00 0.00 60.65 58.98 2ccl s ILE 79 Cb -0.05 -1.28 -0.01 0.00 1.25 0.00 0.00 42.46 42.37 2ccl s ILE 79 CO 0.14 -0.58 -0.21 0.27 0.24 0.00 0.00 174.94 174.80 2ccl s ILE 80 N -2.46 1.67 -0.08 8.37 -4.36 0.07 -0.81 121.20 123.60 2ccl s ILE 80 Ca 0.04 -0.90 0.04 0.00 -0.26 0.00 0.00 60.65 59.57 2ccl s ILE 80 Cb -0.03 -1.39 -0.01 0.00 1.25 0.00 0.00 42.46 42.28 2ccl s ILE 80 CO -0.01 0.47 -0.21 -0.69 0.24 0.00 0.00 174.94 174.74 2ccl s VAL 81 N -0.42 2.40 -0.09 8.37 1.01 -0.03 -1.24 120.40 130.39 2ccl s VAL 81 Ca 0.06 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.13 2ccl s VAL 81 Cb -0.09 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 2ccl s VAL 81 CO -0.00 0.56 -0.13 -0.36 0.00 0.00 0.00 175.10 175.17 2ccl s PHE 82 N -0.05 2.77 -0.10 5.22 0.40 -0.46 -1.74 117.98 124.03 2ccl s PHE 82 Ca -0.06 -0.38 -0.02 0.00 -0.60 0.00 0.00 56.93 55.88 2ccl s PHE 82 Cb -0.15 -1.74 0.03 0.00 0.51 0.00 0.00 43.02 41.68 2ccl s PHE 82 CO 0.05 0.00 0.00 -1.17 0.70 0.00 0.00 175.22 174.80 2ccl s LEU 83 N -0.21 0.72 -0.07 -0.37 2.96 -0.20 -2.63 118.68 118.88 2ccl s LEU 83 Ca 0.01 -0.23 0.05 0.00 -0.22 0.00 0.00 54.13 53.73 2ccl s LEU 83 Cb -0.13 -0.49 -0.00 0.00 0.50 0.00 0.00 46.19 46.07 2ccl s LEU 83 CO 0.03 -0.21 -0.23 0.12 -1.32 0.00 0.00 176.35 174.74 2ccl s PHE 84 N 1.94 2.32 -0.27 5.38 5.36 0.00 -1.47 117.98 131.25 2ccl s PHE 84 Ca 0.04 -0.81 -0.01 0.00 -0.96 0.00 0.00 56.93 55.19 2ccl s PHE 84 Cb -0.13 -1.55 0.15 0.00 -0.34 0.00 0.00 43.02 41.15 2ccl s PHE 84 CO -0.06 -0.30 0.40 0.00 -1.46 0.00 0.00 175.22 173.81 2ccl s ALA 85 N 0.13 -1.21 0.01 11.12 0.00 -0.41 -0.86 121.76 130.54 2ccl s ALA 85 Ca -0.11 0.69 -0.36 0.00 0.00 0.00 0.00 51.96 52.18 2ccl s ALA 85 Cb -0.15 -1.87 -0.15 0.00 0.00 0.00 0.00 23.12 20.95 2ccl s ALA 85 CO 0.06 -1.46 1.59 -0.85 0.00 0.00 0.00 175.76 175.10 2ccl n GLU 86 N 5.36 1.66 0.01 0.00 -0.00 0.55 -4.48 120.64 123.74 2ccl n GLU 86 Ca -0.02 0.60 0.12 0.00 -0.00 0.00 0.00 57.16 57.87 2ccl n GLU 86 Cb 0.50 -2.33 0.32 0.00 -0.00 0.00 0.00 31.44 29.92 2ccl n GLU 86 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2ccl n ASP 87 N 4.13 0.43 0.09 -1.84 2.03 -1.26 -4.09 116.55 116.03 2ccl n ASP 87 Ca 0.20 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.48 2ccl n ASP 87 Cb 0.23 0.07 0.30 0.00 -0.72 0.00 0.00 41.12 41.00 2ccl n ASP 87 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2ccl h SER 88 N 0.00 0.28 0.00 1.67 4.64 -1.94 -3.47 113.55 114.73 2ccl h SER 88 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2ccl h SER 88 Cb 0.54 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2ccl h SER 88 CO 0.00 0.52 0.00 0.61 -0.87 0.00 0.00 176.83 177.09 2ccl n GLY 89 N -0.58 0.88 0.00 -0.77 0.00 -1.26 -4.84 105.19 98.62 2ccl n GLY 89 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2ccl n GLY 89 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ccl n THR 90 N -2.01 0.00 -0.04 2.61 -2.24 -1.26 -5.00 114.28 106.34 2ccl n THR 90 Ca 0.00 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2ccl n THR 90 Cb 0.00 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 2ccl n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ccl n GLY 91 N 0.56 0.39 0.25 3.38 0.00 -1.26 -4.97 105.19 103.53 2ccl n GLY 91 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2ccl n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ccl h ALA 92 N 0.00 1.73 -0.43 4.61 0.00 -1.94 -2.39 119.26 120.84 2ccl h ALA 92 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2ccl h ALA 92 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2ccl h ALA 92 CO 0.00 0.12 0.00 0.66 0.00 0.00 0.00 179.25 180.03 2ccl n TYR 93 N -4.26 1.08 -1.37 0.00 4.01 -1.26 -4.95 117.16 110.41 2ccl n TYR 93 Ca -0.03 -0.68 -0.34 0.00 -0.16 0.00 0.00 57.90 56.69 2ccl n TYR 93 Cb 0.17 -0.23 0.10 0.00 -0.31 0.00 0.00 39.34 39.07 2ccl n TYR 93 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ccl s ALA 94 N -2.03 2.06 -0.28 -0.72 0.00 -0.90 -4.62 121.76 115.28 2ccl s ALA 94 Ca 0.41 0.86 -0.29 0.00 0.00 0.00 0.00 51.96 52.94 2ccl s ALA 94 Cb 0.29 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.95 2ccl s ALA 94 CO 0.16 -1.96 1.06 0.42 0.00 0.00 0.00 175.76 175.45 2ccl s ILE 95 N -2.03 4.58 -0.14 0.00 1.01 -0.45 -4.79 121.20 119.37 2ccl s ILE 95 Ca 0.74 1.86 0.02 0.00 0.00 0.00 0.00 60.65 63.27 2ccl s ILE 95 Cb -0.29 -4.37 -0.00 0.00 0.01 0.00 0.00 42.46 37.81 2ccl s ILE 95 CO 0.46 -0.35 0.32 0.35 0.00 0.00 0.00 174.94 175.73 2ccl n THR 96 N 5.63 0.00 -4.40 2.92 -2.24 -1.26 0.26 114.28 115.19 2ccl n THR 96 Ca 0.12 -0.48 -0.24 0.00 -2.27 0.00 0.00 64.05 61.18 2ccl n THR 96 Cb 0.47 1.02 -0.13 0.00 -2.10 0.00 0.00 70.33 69.58 2ccl n THR 96 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2ccl s LYS 97 N -0.61 1.18 0.41 -0.78 -2.85 -1.26 -4.71 119.74 111.12 2ccl s LYS 97 Ca 0.01 -1.05 -0.25 0.00 -1.00 0.00 0.00 55.97 53.68 2ccl s LYS 97 Cb 0.01 -1.36 -0.08 0.00 -2.06 0.00 0.00 37.83 34.34 2ccl s LYS 97 CO 0.04 0.33 1.26 -0.51 0.10 0.00 0.00 175.35 176.57 2ccl s ASP 98 N -1.61 6.33 0.00 0.03 1.11 -1.26 -4.90 116.67 116.36 2ccl s ASP 98 Ca 0.06 2.55 0.00 0.00 0.18 0.00 0.00 52.55 55.34 2ccl s ASP 98 Cb -0.09 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.27 2ccl s ASP 98 CO 0.03 -0.83 0.00 0.61 1.18 0.00 0.00 175.17 176.16 2ccl n GLY 99 N 0.66 0.22 3.63 0.21 0.00 -0.61 -4.99 105.19 104.30 2ccl n GLY 99 Ca 0.04 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 2ccl n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ccl s VAL 100 N -3.32 4.64 0.00 1.61 1.01 -1.26 -0.02 120.40 123.07 2ccl s VAL 100 Ca 0.00 1.51 -0.17 0.00 0.00 0.00 0.00 61.98 63.33 2ccl s VAL 100 Cb 0.00 -4.29 -0.34 0.00 0.00 0.00 0.00 36.38 31.74 2ccl s VAL 100 CO 0.00 -0.36 0.94 0.15 0.00 0.00 0.00 175.10 175.83 2ccl h PHE 101 N 8.06 0.86 -3.10 5.22 3.57 -0.26 -2.83 116.94 128.47 2ccl h PHE 101 Ca -0.22 -0.63 -0.09 0.00 3.53 0.00 0.00 57.97 60.56 2ccl h PHE 101 Cb 1.08 -0.03 -0.17 0.00 2.79 0.00 0.00 35.95 39.61 2ccl h PHE 101 CO 0.80 1.52 -0.19 0.00 -2.23 0.00 0.00 178.31 178.22 2ccl s ALA 102 N -2.56 -0.86 -0.31 2.41 0.00 -1.17 -0.13 121.76 119.14 2ccl s ALA 102 Ca -0.11 0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.11 2ccl s ALA 102 Cb 0.03 0.27 0.08 0.00 0.00 0.00 0.00 23.12 23.51 2ccl s ALA 102 CO 0.91 -0.40 -0.02 0.15 0.00 0.00 0.00 175.76 176.41 2ccl s LYS 103 N -2.23 1.78 -0.25 0.00 1.02 0.36 -0.46 119.74 119.97 2ccl s LYS 103 Ca -0.07 -1.65 -0.28 0.00 0.02 0.00 0.00 55.97 53.99 2ccl s LYS 103 Cb -0.02 -3.07 0.01 0.00 -0.52 0.00 0.00 37.83 34.24 2ccl s LYS 103 CO -0.01 -0.79 1.01 0.42 -0.92 0.00 0.00 175.35 175.06 2ccl s ILE 104 N 0.99 4.67 -0.26 2.17 1.01 0.03 -1.04 121.20 128.77 2ccl s ILE 104 Ca 0.03 1.87 -0.12 0.00 0.00 0.00 0.00 60.65 62.43 2ccl s ILE 104 Cb -0.19 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 37.93 2ccl s ILE 104 CO -0.07 -0.23 0.22 -0.13 0.00 0.00 0.00 174.94 174.73 2ccl s ARG 105 N 3.23 4.03 -0.01 2.79 0.52 0.54 0.49 118.95 130.53 2ccl s ARG 105 Ca 0.43 -0.21 0.01 0.00 -0.52 0.00 0.00 55.73 55.43 2ccl s ARG 105 Cb -0.14 -3.60 0.01 0.00 0.52 0.00 0.00 34.95 31.74 2ccl s ARG 105 CO 0.08 -0.08 -0.02 0.00 0.02 0.00 0.00 175.30 175.31 2ccl s ALA 106 N 1.46 0.26 -0.13 2.13 0.00 -0.65 -1.18 121.76 123.66 2ccl s ALA 106 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 51.96 51.85 2ccl s ALA 106 Cb -0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 2ccl s ALA 106 CO 0.08 0.00 0.57 0.99 0.00 0.00 0.00 175.76 177.41 2ccl s THR 107 N 0.39 5.11 -0.20 0.00 2.01 0.42 -0.86 115.64 122.50 2ccl s THR 107 Ca -0.04 1.13 -0.29 0.00 0.31 0.00 0.00 61.69 62.80 2ccl s THR 107 Cb -0.06 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 2ccl s THR 107 CO -0.01 0.24 1.32 -0.69 -0.69 0.00 0.00 174.62 174.79 2ccl s VAL 108 N 1.08 4.17 -0.14 3.82 1.01 -0.64 -1.08 120.40 128.62 2ccl s VAL 108 Ca 0.29 1.38 0.18 0.00 0.00 0.00 0.00 61.98 63.84 2ccl s VAL 108 Cb -0.16 -4.00 -0.25 0.00 0.00 0.00 0.00 36.38 31.97 2ccl s VAL 108 CO 0.12 -0.24 0.31 0.29 0.00 0.00 0.00 175.10 175.58 2ccl n LYS 109 N 6.91 0.67 -3.95 2.72 5.02 0.38 -0.18 118.16 129.73 2ccl n LYS 109 Ca 0.15 -0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.34 2ccl n LYS 109 Cb 0.45 -1.58 -0.08 0.00 -0.02 0.00 0.00 35.03 33.81 2ccl n LYS 109 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2ccl s SER 110 N -5.33 0.12 0.00 4.39 1.04 -1.21 -4.87 113.70 107.83 2ccl s SER 110 Ca -0.08 -0.83 0.29 0.00 0.48 0.00 0.00 55.95 55.81 2ccl s SER 110 Cb 0.08 0.37 1.29 0.00 0.10 0.00 0.00 66.02 67.86 2ccl s SER 110 CO 0.85 -0.80 1.95 -1.54 0.98 0.00 0.00 173.24 174.68 2ccl n SER 111 N -0.13 0.01 -4.76 7.02 3.41 -1.26 -4.82 113.62 113.09 2ccl n SER 111 Ca -0.10 0.35 -0.34 0.00 -0.26 0.00 0.00 58.87 58.51 2ccl n SER 111 Cb 0.63 -0.44 0.03 0.00 -0.26 0.00 0.00 64.21 64.17 2ccl n SER 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ccl s ALA 112 N -2.91 2.53 0.17 7.33 0.00 -1.26 -4.93 121.76 122.69 2ccl s ALA 112 Ca 0.17 0.76 -0.34 0.00 0.00 0.00 0.00 51.96 52.55 2ccl s ALA 112 Cb 0.19 -3.37 -0.14 0.00 0.00 0.00 0.00 23.12 19.80 2ccl s ALA 112 CO 0.52 -1.14 1.45 -2.30 0.00 0.00 0.00 175.76 174.29 2ccl n PRO 113 N -1.91 1.83 -3.52 0.00 -0.02 -1.25 -4.90 135.00 125.23 2ccl n PRO 113 Ca 0.12 0.66 -0.37 0.00 -2.02 0.00 0.00 63.50 61.88 2ccl n PRO 113 Cb 0.51 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.59 2ccl n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ccl n GLY 114 N 2.79 4.28 3.72 -1.23 0.00 0.09 -4.99 105.19 109.86 2ccl n GLY 114 Ca 0.16 -2.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.15 2ccl n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ccl s TYR 115 N -1.59 3.59 -0.22 1.61 4.12 -1.26 -0.91 117.35 122.69 2ccl s TYR 115 Ca 0.29 1.55 -0.05 0.00 0.02 0.00 0.00 57.07 58.89 2ccl s TYR 115 Cb -0.05 -3.26 -0.02 0.00 -1.52 0.00 0.00 41.96 37.12 2ccl s TYR 115 CO -0.09 -0.58 -0.01 0.42 0.02 0.00 0.00 175.55 175.30 2ccl s ILE 116 N 0.47 3.70 -0.01 2.71 1.01 0.59 -4.34 121.20 125.32 2ccl s ILE 116 Ca 0.53 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.83 2ccl s ILE 116 Cb -0.27 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 2ccl s ILE 116 CO 0.31 0.41 -0.15 0.42 0.00 0.00 0.00 174.94 175.93 2ccl s THR 117 N 1.33 1.17 0.26 2.92 -4.23 -0.50 -2.46 115.64 114.13 2ccl s THR 117 Ca 0.04 -0.63 -0.31 0.00 -1.18 0.00 0.00 61.69 59.62 2ccl s THR 117 Cb -0.15 -0.97 -0.12 0.00 1.34 0.00 0.00 72.50 72.60 2ccl s THR 117 CO -0.00 0.33 1.66 0.33 -0.54 0.00 0.00 174.62 176.39 2ccl n PHE 118 N 2.74 2.84 0.01 3.99 7.35 -1.26 0.19 117.46 133.33 2ccl n PHE 118 Ca -0.14 0.16 -0.03 0.00 -0.76 0.00 0.00 57.45 56.68 2ccl n PHE 118 Cb 0.55 -2.63 -0.01 0.00 0.35 0.00 0.00 39.48 37.73 2ccl n PHE 118 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2ccl n ASP 119 N 2.89 1.02 -3.76 -2.13 2.03 -0.00 -4.77 116.55 111.83 2ccl n ASP 119 Ca 0.11 0.14 -0.13 0.00 0.52 0.00 0.00 54.79 55.44 2ccl n ASP 119 Cb 0.36 -0.34 -0.09 0.00 -0.72 0.00 0.00 41.12 40.33 2ccl n ASP 119 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2ccl s GLU 120 N -2.15 0.60 -0.02 -0.67 -6.30 -1.03 -4.99 118.70 104.14 2ccl s GLU 120 Ca -0.06 -0.02 0.04 0.00 -2.50 0.00 0.00 54.97 52.43 2ccl s GLU 120 Cb 0.01 0.27 -0.01 0.00 0.00 0.00 0.00 34.13 34.41 2ccl s GLU 120 CO 0.08 -0.15 -0.14 0.54 0.02 0.00 0.00 175.26 175.61 2ccl s VAL 121 N -0.94 1.15 0.00 3.70 0.11 -1.26 0.05 120.40 123.21 2ccl s VAL 121 Ca -0.10 -0.60 0.00 0.00 -2.93 0.00 0.00 61.98 58.35 2ccl s VAL 121 Cb -0.04 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 2ccl s VAL 121 CO 0.03 0.33 0.00 0.61 -3.33 0.00 0.00 175.10 172.74 2ccl n GLY 122 N 2.91 0.41 3.88 6.54 0.00 0.13 -4.98 105.19 114.07 2ccl n GLY 122 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 2ccl n GLY 122 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ccl s GLY 123 N 0.00 2.16 -0.48 -0.02 0.00 -1.26 -4.90 107.32 102.82 2ccl s GLY 123 Ca 0.00 -0.34 0.06 0.00 0.00 0.00 0.00 44.72 44.44 2ccl s GLY 123 CO 0.00 -0.21 0.63 -0.12 0.00 0.00 0.00 173.10 173.40 2ccl s PHE 124 N -1.91 -1.05 0.11 1.90 5.36 -1.26 -1.49 117.98 119.64 2ccl s PHE 124 Ca 0.47 -0.83 0.08 0.00 -0.96 0.00 0.00 56.93 55.69 2ccl s PHE 124 Cb -0.11 0.05 -0.04 0.00 -0.34 0.00 0.00 43.02 42.58 2ccl s PHE 124 CO 0.24 -1.17 -0.16 0.00 -1.46 0.00 0.00 175.22 172.67 2ccl s ALA 125 N 0.85 2.73 1.00 11.12 0.00 -0.77 -0.32 121.76 136.37 2ccl s ALA 125 Ca 0.28 -1.32 -0.16 0.00 0.00 0.00 0.00 51.96 50.77 2ccl s ALA 125 Cb -0.01 -0.71 0.22 0.00 0.00 0.00 0.00 23.12 22.63 2ccl s ALA 125 CO -0.08 0.60 1.30 -0.40 0.00 0.00 0.00 175.76 177.18 2ccl n ASP 126 N 0.84 0.11 0.22 0.00 5.68 -0.72 -0.53 116.55 122.16 2ccl n ASP 126 Ca -0.15 -1.48 0.15 0.00 -0.50 0.00 0.00 54.79 52.81 2ccl n ASP 126 Cb 0.53 -0.99 0.78 0.00 -1.14 0.00 0.00 41.12 40.30 2ccl n ASP 126 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 2ccl h ASN 127 N -1.70 0.00 -0.48 -1.12 2.35 -1.38 -0.16 115.58 113.09 2ccl h ASN 127 Ca -0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 2ccl h ASN 127 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.53 2ccl h ASN 127 CO 0.30 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.55 2ccl n ASP 128 N -2.59 2.98 -0.62 5.81 8.00 -1.26 -4.94 116.55 123.92 2ccl n ASP 128 Ca -0.01 -1.96 -0.08 0.00 0.71 0.00 0.00 54.79 53.45 2ccl n ASP 128 Cb 0.10 -0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 40.84 2ccl n ASP 128 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2ccl n LEU 129 N 1.14 -0.48 -4.64 0.64 4.77 -0.07 -5.00 117.00 113.35 2ccl n LEU 129 Ca 0.19 0.20 -0.42 0.00 -0.03 0.00 0.00 56.01 55.95 2ccl n LEU 129 Cb 0.49 -1.63 -0.04 0.00 -2.33 0.00 0.00 43.42 39.91 2ccl n LEU 129 CO 0.14 -0.53 0.65 -0.69 -1.33 0.00 0.00 177.39 175.63 2ccl s VAL 130 N -2.19 4.83 0.19 4.08 1.01 -1.26 -4.79 120.40 122.27 2ccl s VAL 130 Ca 0.00 1.57 -0.31 0.00 0.00 0.00 0.00 61.98 63.24 2ccl s VAL 130 Cb 0.00 -4.12 -0.10 0.00 0.00 0.00 0.00 36.38 32.16 2ccl s VAL 130 CO 0.00 -0.07 1.55 -1.61 0.00 0.00 0.00 175.10 174.97 2ccl s GLU 131 N 2.85 4.22 0.25 2.72 0.41 -1.26 -1.75 118.70 126.13 2ccl s GLU 131 Ca 0.35 2.37 -0.03 0.00 -0.41 0.00 0.00 54.97 57.25 2ccl s GLU 131 Cb -0.15 -3.14 -0.05 0.00 -1.78 0.00 0.00 34.13 29.01 2ccl s GLU 131 CO 0.07 -0.58 0.47 -0.65 -0.49 0.00 0.00 175.26 174.08 2ccl s GLN 132 N 0.82 3.57 0.13 1.61 -1.52 0.57 -4.96 119.66 119.89 2ccl s GLN 132 Ca 0.68 -0.17 -0.30 0.00 -1.95 0.00 0.00 55.36 53.61 2ccl s GLN 132 Cb -0.44 -2.74 -0.07 0.00 -0.22 0.00 0.00 33.01 29.54 2ccl s GLN 132 CO 0.34 0.30 1.27 0.21 -0.25 0.00 0.00 175.29 177.16 2ccl s LYS 133 N -3.46 4.41 -0.00 2.91 2.20 -1.26 -4.87 119.74 119.68 2ccl s LYS 133 Ca 0.41 1.93 0.02 0.00 -0.36 0.00 0.00 55.97 57.96 2ccl s LYS 133 Cb -0.11 -3.26 -0.01 0.00 -1.51 0.00 0.00 37.83 32.94 2ccl s LYS 133 CO 0.30 -0.25 -0.05 0.54 -0.36 0.00 0.00 175.35 175.52 2ccl s VAL 134 N 0.58 0.40 0.15 4.02 0.11 -1.26 0.07 120.40 124.47 2ccl s VAL 134 Ca 0.58 -0.28 0.04 0.00 -2.93 0.00 0.00 61.98 59.39 2ccl s VAL 134 Cb -0.33 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 2ccl s VAL 134 CO 0.33 0.07 -0.10 -0.94 -3.33 0.00 0.00 175.10 171.14 2ccl s SER 135 N -0.23 1.77 0.01 3.54 1.04 0.02 -4.95 113.70 114.90 2ccl s SER 135 Ca 0.01 -1.02 0.06 0.00 0.48 0.00 0.00 55.95 55.48 2ccl s SER 135 Cb -0.03 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 66.07 2ccl s SER 135 CO -0.00 -0.34 -0.20 -0.36 0.98 0.00 0.00 173.24 173.32 2ccl s PHE 136 N -3.34 1.74 -0.19 5.02 0.40 -1.26 -0.98 117.98 119.37 2ccl s PHE 136 Ca 0.17 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.16 2ccl s PHE 136 Cb 0.03 -1.09 0.01 0.00 0.51 0.00 0.00 43.02 42.49 2ccl s PHE 136 CO 0.01 0.02 -0.17 0.42 0.70 0.00 0.00 175.22 176.19 2ccl s ILE 137 N -0.59 2.29 0.65 0.64 1.01 0.13 -4.96 121.20 120.36 2ccl s ILE 137 Ca 0.07 -0.86 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 2ccl s ILE 137 Cb -0.08 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 2ccl s ILE 137 CO 0.00 0.52 1.05 -1.81 0.00 0.00 0.00 174.94 174.70 2ccl s ASP 138 N 1.31 5.70 0.00 3.58 1.01 -1.26 -0.51 116.67 126.50 2ccl s ASP 138 Ca 0.05 1.62 0.00 0.00 0.71 0.00 0.00 52.55 54.93 2ccl s ASP 138 Cb -0.13 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.30 2ccl s ASP 138 CO -0.11 -1.22 0.00 0.61 0.21 0.00 0.00 175.17 174.65 2ccl n GLY 139 N -1.89 3.77 0.00 0.21 0.00 -1.03 -4.65 105.19 101.61 2ccl n GLY 139 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2ccl n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ccl n GLY 140 N 0.00 0.48 3.27 -0.02 0.00 -0.54 -0.30 105.19 108.07 2ccl n GLY 140 Ca 0.00 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 2ccl n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ccl s VAL 141 N -4.00 2.12 -1.18 1.61 1.01 -0.09 -1.52 120.40 118.36 2ccl s VAL 141 Ca 0.00 -1.04 -0.18 0.00 0.00 0.00 0.00 61.98 60.76 2ccl s VAL 141 Cb 0.00 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 2ccl s VAL 141 CO 0.00 0.57 0.75 0.59 0.00 0.00 0.00 175.10 177.01 2ccl n ASN 142 N 3.02 -4.56 0.28 3.32 3.02 0.45 -0.73 115.26 120.07 2ccl n ASN 142 Ca -0.18 -1.01 0.12 0.00 -0.03 0.00 0.00 54.58 53.49 2ccl n ASN 142 Cb 0.52 -3.35 0.81 0.00 -0.61 0.00 0.00 39.78 37.15 2ccl n ASN 142 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2ccl h VAL 143 N -1.90 0.69 0.00 2.41 -1.51 -1.86 -3.32 116.25 110.76 2ccl h VAL 143 Ca -0.66 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 2ccl h VAL 143 Cb 1.36 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 2ccl h VAL 143 CO 0.50 0.01 0.00 0.61 -1.23 0.00 0.00 177.57 177.47 2ccl n GLY 144 N -1.34 -1.91 3.13 5.19 0.00 -1.26 -4.86 105.19 104.14 2ccl n GLY 144 Ca -0.03 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.27 2ccl n GLY 144 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ccl s ASN 145 N -4.00 0.95 0.15 1.61 0.01 -1.26 -5.12 114.94 107.28 2ccl s ASN 145 Ca 0.00 -0.91 -0.34 0.00 -0.71 0.00 0.00 52.86 50.89 2ccl s ASN 145 Cb 0.00 0.10 -0.15 0.00 0.41 0.00 0.00 41.25 41.61 2ccl s ASN 145 CO 0.00 -0.44 1.42 0.00 -1.51 0.00 0.00 177.10 176.57 2ccl n ALA 146 N 0.28 0.22 -2.01 0.60 0.00 -1.26 -4.91 120.51 113.44 2ccl n ALA 146 Ca -0.15 0.47 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 2ccl n ALA 146 Cb 0.60 -2.20 -0.03 0.00 0.00 0.00 0.00 19.45 17.82 2ccl n ALA 146 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2ccl s THR 147 N 0.50 2.93 0.13 0.00 2.01 -1.26 -4.96 115.64 114.99 2ccl s THR 147 Ca 0.79 0.71 -0.32 0.00 0.31 0.00 0.00 61.69 63.17 2ccl s THR 147 Cb -0.80 -3.45 -0.12 0.00 0.01 0.00 0.00 72.50 68.14 2ccl s THR 147 CO 0.44 0.08 1.77 -2.65 -0.69 0.00 0.00 174.62 173.56 2ccl n PRO 148 N 3.40 2.62 0.00 4.92 -0.02 -1.26 -4.87 135.00 139.79 2ccl n PRO 148 Ca 0.10 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 2ccl n PRO 148 Cb 0.41 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 2ccl n PRO 148 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2ccl n THR 149 N 4.32 0.00 -4.35 3.45 -1.04 -1.26 -5.10 114.28 110.29 2ccl n THR 149 Ca 0.18 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 62.01 2ccl n THR 149 Cb 0.34 -0.66 -0.10 0.00 -1.82 0.00 0.00 70.33 68.09 2ccl n THR 149 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2ccl s LYS 150 N -1.93 1.39 -0.49 -2.82 -2.85 -1.26 -5.10 119.74 106.69 2ccl s LYS 150 Ca 0.00 -1.71 -0.28 0.00 -1.00 0.00 0.00 55.97 52.98 2ccl s LYS 150 Cb 0.00 -0.73 0.01 0.00 -2.06 0.00 0.00 37.83 35.05 2ccl s LYS 150 CO 0.00 -0.08 1.39 -1.17 0.10 0.00 0.00 175.35 175.59 2ccl s LEU 151 N -3.34 3.51 0.04 2.77 2.96 -1.26 -4.96 118.68 118.39 2ccl s LEU 151 Ca 0.29 0.55 -0.25 0.00 -0.22 0.00 0.00 54.13 54.50 2ccl s LEU 151 Cb 0.05 -3.33 0.06 0.00 0.50 0.00 0.00 46.19 43.48 2ccl s LEU 151 CO 0.10 -1.54 0.57 -1.83 -1.32 0.00 0.00 176.35 172.33 2ccl s GLU 152 N 5.15 1.07 0.00 1.98 -1.05 -1.26 -5.31 118.70 119.29 2ccl s GLU 152 Ca 0.56 -0.13 0.30 0.00 -0.15 0.00 0.00 54.97 55.56 2ccl s GLU 152 Cb -0.12 0.49 1.52 0.00 -0.44 0.00 0.00 34.13 35.59 2ccl s GLU 152 CO 0.29 -0.39 2.01 0.72 0.95 0.00 0.00 175.26 178.85